Mining chemical reactions using neighborhood behavior and condensed graphs of reactions approaches
A de Luca, D Horvath, G Marcou…
文献索引：Barton, John W.; Shepherd, Michael K. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1986 , p. 961 - 966
... Journal of Chemical ... The analysis of the SOM clusters proved chemically meaningful CGR substructures representing specific reaction signatures. ... 2.1Data Sets and Simulation Design The reaction DB used here represents a sample of 8544 chemical reactions of 9 classes ...
